2,2,2-trifluoro-N-[(3-propyl-1H-pyrazol-5-yl)methyl]ethanamine

C9H14F3N3 — CID 62112869

IUPAC2,2,2-trifluoro-N-[(3-propyl-1H-pyrazol-5-yl)methyl]ethanamine
SMILESCCCc1cc(CNCC(F)(F)F)[nH]n1
InChIInChI=1S/C9H14F3N3/c1-2-3-7-4-8(15-14-7)5-13-6-9(10,11)12/h4,13H,2-3,5-6H2,1H3,(H,14,15)
InChIKeyJWACXJTZAWZFCX-UHFFFAOYSA-N
MW221.23 g/mol
LogP2.01
Rot. Bonds5

About 2,2,2-trifluoro-N-[(3-propyl-1H-pyrazol-5-yl)methyl]ethanamine

2,2,2-trifluoro-N-[(3-propyl-1H-pyrazol-5-yl)methyl]ethanamine (PubChem CID 62112869) has the molecular formula C9H14F3N3 and a molecular weight of 221.23 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(3-propyl-1H-pyrazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(3-propyl-1H-pyrazol-5-yl)methyl]ethanamine
PubChem CID62112869
Molecular FormulaC9H14F3N3
Molecular Weight221.23 g/mol
Exact Mass221.11
IUPAC Name2,2,2-trifluoro-N-[(3-propyl-1H-pyrazol-5-yl)methyl]ethanamine
SMILESCCCc1cc(CNCC(F)(F)F)[nH]n1
InChIInChI=1S/C9H14F3N3/c1-2-3-7-4-8(15-14-7)5-13-6-9(10,11)12/h4,13H,2-3,5-6H2,1H3,(H,14,15)
InChIKeyJWACXJTZAWZFCX-UHFFFAOYSA-N
XLogP2.01
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(3-propyl-1H-pyrazol-5-yl)methyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[(3-propyl-1H-pyrazol-5-yl)methyl]ethanamine (CID 62112869) is 2,2,2-trifluoro-N-[(3-propyl-1H-pyrazol-5-yl)methyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[(3-propyl-1H-pyrazol-5-yl)methyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[(3-propyl-1H-pyrazol-5-yl)methyl]ethanamine is CCCc1cc(CNCC(F)(F)F)[nH]n1.
What is the InChIKey of 2,2,2-trifluoro-N-[(3-propyl-1H-pyrazol-5-yl)methyl]ethanamine?
The InChIKey is JWACXJTZAWZFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3/c1-2-3-7-4-8(15-14-7)5-13-6-9(10,11)12/h4,13H,2-3,5-6H2,1H3,(H,14,15).
What are the key properties of 2,2,2-trifluoro-N-[(3-propyl-1H-pyrazol-5-yl)methyl]ethanamine?
2,2,2-trifluoro-N-[(3-propyl-1H-pyrazol-5-yl)methyl]ethanamine has a molecular weight of 221.23 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(3-propyl-1H-pyrazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 62112869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).